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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = '60 kDa heat shock protein, mitochondrial' and Ligand = 'BDBM50468089'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
60 kDa heat shock protein, mitochondrial


(Homo sapiens)
BDBM50468089
PNG
(CHEMBL1632145)
Show SMILES Oc1c(Br)cc(Br)cc1C(=O)Nc1ccc(Sc2nc3ccccc3s2)c(Cl)c1
Show InChI InChI=1S/C20H11Br2ClN2O2S2/c21-10-7-12(18(26)13(22)8-10)19(27)24-11-5-6-16(14(23)9-11)28-20-25-15-3-1-2-4-17(15)29-20/h1-9,26H,(H,24,27)
PDB

UniProtKB/SwissProt

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PC sid
UniChem
Article
PubMed
n/an/a 3.60E+3n/an/an/an/an/an/a



Indiana University

Curated by ChEMBL


Assay Description
Inhibition of human HSP60/HSP10 expressed in Escherichia coli Rosetta2(DE3) cells assessed as reduction in denatured pig heart MDH ATPase activity by...


Bioorg Med Chem Lett 26: 3127-3134 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.089
BindingDB Entry DOI: 10.7270/Q22J6FW2
More data for this
Ligand-Target Pair
60 kDa heat shock protein, mitochondrial


(Homo sapiens)
BDBM50468089
PNG
(CHEMBL1632145)
Show SMILES Oc1c(Br)cc(Br)cc1C(=O)Nc1ccc(Sc2nc3ccccc3s2)c(Cl)c1
Show InChI InChI=1S/C20H11Br2ClN2O2S2/c21-10-7-12(18(26)13(22)8-10)19(27)24-11-5-6-16(14(23)9-11)28-20-25-15-3-1-2-4-17(15)29-20/h1-9,26H,(H,24,27)
PDB

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.20E+3n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal octa-His-tagged HSP60 expressed in Escherichia coli Rosetta(DE3) pLysS/human HSP10 expressed in Escherichia coli Roset...


J Med Chem 61: 10651-10664 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01293
BindingDB Entry DOI: 10.7270/Q2MG7S6W
More data for this
Ligand-Target Pair
60 kDa heat shock protein, mitochondrial


(Homo sapiens)
BDBM50468089
PNG
(CHEMBL1632145)
Show SMILES Oc1c(Br)cc(Br)cc1C(=O)Nc1ccc(Sc2nc3ccccc3s2)c(Cl)c1
Show InChI InChI=1S/C20H11Br2ClN2O2S2/c21-10-7-12(18(26)13(22)8-10)19(27)24-11-5-6-16(14(23)9-11)28-20-25-15-3-1-2-4-17(15)29-20/h1-9,26H,(H,24,27)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.50E+3n/an/an/an/an/an/a



Indiana University

Curated by ChEMBL


Assay Description
Inhibition of human HSP60/HSP10 expressed in Escherichia coli Rosetta2(DE3) cells assessed as inhibition of denatured pig heart MDH refolding by meas...


Bioorg Med Chem Lett 26: 3127-3134 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.089
BindingDB Entry DOI: 10.7270/Q22J6FW2
More data for this
Ligand-Target Pair